CID 6509882

Brn 2659092

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=C(C(=C2C/C(=N\O)/CCCC2=C1)O)OC
InChI
InChI=1S/C13H17NO4/c1-17-11-6-8-4-3-5-9(14-16)7-10(8)12(15)13(11)18-2/h6,15-16H,3-5,7H2,1-2H3/b14-9-
InChIKey
ZAWMFRNLJVIEGY-ZROIWOOFSA-N
Compound name
(6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 151.2
[M+Na]+ 274.10497 156.9
[M-H]- 250.10847 155.9
[M+NH4]+ 269.14957 167.9
[M+K]+ 290.07891 160.0
[M+H-H2O]+ 234.11301 146.2
[M+HCOO]- 296.11395 171.3
[M+CH3COO]- 310.12960 196.4
[M+Na-2H]- 272.09042 155.6
[M]+ 251.11520 149.4
[M]- 251.11630 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.